(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCC(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCC(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5S/c19-14(15-7-4-10-24-15)11-23-16(20)8-3-9-17-12-5-1-2-6-13(12)18(21)22/h1-2,4-7,10,17H,3,8-9,11H2